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Target
Mannose-6-phosphate isomerase
Ligand
BDBM44459
Substrate
n/a
Meas. Tech.
ChEMBL_747525 (CHEMBL1777059)
IC50
>20000±n/a nM
Citation
 Dahl, R; Bravo, Y; Sharma, V; Ichikawa, M; Dhanya, RP; Hedrick, M; Brown, B; Rascon, J; Vicchiarelli, M; Mangravita-Novo, A; Yang, L; Stonich, D; Su, Y; Smith, LH; Sergienko, E; Freeze, HH; Cosford, ND Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem 54:3661-8 (2011) [PubMed]  Article 
Target
Name:
Mannose-6-phosphate isomerase
Synonyms:
MPI | MPI protein | MPI_HUMAN | Mannose-6-phosphate isomerase | PMI1
Type:
PROTEIN
Mol. Mass.:
46651.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1448919
Residue:
423
Sequence:
MAAPRVFPLSCAVQQYAWGKMGSNSEVARLLASSDPLAQIAEDKPYAELWMGTHPRGDAKILDNRISQKTLSQWIAENQDSLGSKVKDTFNGNLPFLFKVLSVETPLSIQAHPNKELAEKLHLQAPQHYPDANHKPEMAIALTPFQGLCGFRPVEEIVTFLKKVPEFQFLIGDEAATHLKQTMSHDSQAVASSLQSCFSHLMKSEKKVVVEQLNLLVKRISQQAAAGNNMEDIFGELLLQLHQQYPGDIGCFAIYFLNLLTLKPGEAMFLEANVPHAYLKGDCVECMACSDNTVRAGLTPKFIDVPTLCEMLSYTPSSSKDRLFLPTRSQEDPYLSIYDPPVPDFTIMKTEVPGSVTEYKVLALDSASILLMVQGTVIASTPTTQTPIPLQRGGVLFIGANESVSLKLTEPKDLLIFRACCLL
  
Inhibitor
Name:
BDBM44459
Synonyms:
1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-propenyl]-1H-benzo[e]indolium | 1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]benzo[e]indol-3-ium;perchlorate | 1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[e]indol-3-ium;perchlorate | 1,1,3-trimethyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benz[e]indol-3-ium;perchlorate | MLS000525274 | SMR000122148 | cid_9549472
Type:
Small organic molecule
Emp. Form.:
C29H31N2
Mol. Mass.:
407.5693
SMILES:
CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|
Structure:
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